USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 604 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 ASN : amide:sc= 1.39! C(o=1.9!,f=-11!) USER MOD Set 1.2: A 58 THR OG1 : rot -169:sc= -0.482 USER MOD Set 1.3: A 62 TYR OH : rot 30:sc= 1 USER MOD Set 2.1: A 32 CYS SG : rot 180:sc= -0.229 USER MOD Set 2.2: A 36 LYS NZ :NH3+ -174:sc= 0.547 (180deg=0.529) USER MOD Single : A 7 SER OG : rot 39:sc= 0.0183 USER MOD Single : A 8 CYS SG : rot -127:sc= -2.72! USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.00059) USER MOD Single : A 11 TYR OH : rot 61:sc= 0.987 USER MOD Single : A 12 LYS NZ :NH3+ 155:sc= 0.591 (180deg=0.169) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0316 USER MOD Single : A 15 SER OG : rot 88:sc= 0.135 USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 1.41 (180deg=1.04) USER MOD Single : A 18 ASN : amide:sc= -2.04! C(o=-2!,f=-7.3!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 38:sc= 0.0636 USER MOD Single : A 28 HIS : no HD1:sc= -2.31! C(o=-2.3!,f=-2.8!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 0.667 (180deg=0.46!) USER MOD Single : A 37 GLN : amide:sc= 1.15 K(o=1.1,f=-1) USER MOD Single : A 39 MET CE :methyl 173:sc= -1.03 (180deg=-1.13) USER MOD Single : A 43 LYS NZ :NH3+ 158:sc= -0.0793 (180deg=-0.508) USER MOD Single : A 45 LYS NZ :NH3+ -163:sc= -0.0575 (180deg=-0.394) USER MOD Single : A 49 CYS SG : rot 23:sc= 1.87 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.178 F(o=-1,f=-0.18) USER MOD Single : A 54 THR OG1 : rot 71:sc= -0.75 USER MOD Single : A 57 GLN :FLIP amide:sc= -1.15 F(o=-1.9,f=-1.2) USER MOD Single : A 59 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0237) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.756 F(o=-3.4!,f=-0.76) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot -170:sc= -0.941 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -14.327 2.533 -2.807 1.00 0.00 N ATOM 79 CA SER A 7 -13.646 1.459 -2.192 1.00 0.00 C ATOM 80 C SER A 7 -12.462 2.067 -1.511 1.00 0.00 C ATOM 81 O SER A 7 -11.646 2.726 -2.160 1.00 0.00 O ATOM 82 CB SER A 7 -13.218 0.448 -3.246 1.00 0.00 C ATOM 83 OG SER A 7 -14.337 -0.073 -3.933 1.00 0.00 O ATOM 0 HA SER A 7 -14.273 0.925 -1.478 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.540 0.922 -3.955 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.667 -0.365 -2.773 1.00 0.00 H new ATOM 0 HG SER A 7 -14.992 0.641 -4.081 1.00 0.00 H new ATOM 89 N CYS A 8 -12.383 1.908 -0.232 1.00 0.00 N ATOM 90 CA CYS A 8 -11.380 2.578 0.521 1.00 0.00 C ATOM 91 C CYS A 8 -10.571 1.598 1.352 1.00 0.00 C ATOM 92 O CYS A 8 -11.131 0.759 2.056 1.00 0.00 O ATOM 93 CB CYS A 8 -12.058 3.600 1.423 1.00 0.00 C ATOM 94 SG CYS A 8 -13.137 4.772 0.563 1.00 0.00 S ATOM 0 H CYS A 8 -13.007 1.315 0.316 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.690 3.075 -0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.645 3.070 2.173 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.290 4.159 1.957 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.799 5.986 0.881 1.00 0.00 H new ATOM 100 N VAL A 9 -9.272 1.684 1.236 1.00 0.00 N ATOM 101 CA VAL A 9 -8.385 0.884 2.045 1.00 0.00 C ATOM 102 C VAL A 9 -7.706 1.750 3.066 1.00 0.00 C ATOM 103 O VAL A 9 -7.107 2.788 2.725 1.00 0.00 O ATOM 104 CB VAL A 9 -7.318 0.089 1.209 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.184 -0.422 2.093 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.960 -1.105 0.559 1.00 0.00 C ATOM 0 H VAL A 9 -8.799 2.307 0.582 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.004 0.135 2.539 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.919 0.775 0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.464 -0.967 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.688 0.422 2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.589 -1.086 2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.213 -1.650 -0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.373 -1.759 1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.759 -0.773 -0.103 1.00 0.00 H new ATOM 116 N HIS A 10 -7.851 1.362 4.303 1.00 0.00 N ATOM 117 CA HIS A 10 -7.172 1.985 5.397 1.00 0.00 C ATOM 118 C HIS A 10 -5.789 1.435 5.466 1.00 0.00 C ATOM 119 O HIS A 10 -5.586 0.280 5.832 1.00 0.00 O ATOM 120 CB HIS A 10 -7.892 1.741 6.724 1.00 0.00 C ATOM 121 CG HIS A 10 -9.152 2.519 6.890 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.298 3.585 7.755 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.351 2.354 6.297 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.556 4.016 7.665 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.243 3.303 6.786 1.00 0.00 N ATOM 0 H HIS A 10 -8.456 0.589 4.580 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.153 3.062 5.230 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.121 0.679 6.810 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.215 1.989 7.542 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.583 1.602 5.557 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.962 4.839 8.234 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.221 3.424 6.523 1.00 0.00 H new ATOM 133 N TYR A 11 -4.859 2.215 5.067 1.00 0.00 N ATOM 134 CA TYR A 11 -3.504 1.800 5.081 1.00 0.00 C ATOM 135 C TYR A 11 -2.745 2.715 5.996 1.00 0.00 C ATOM 136 O TYR A 11 -2.835 3.923 5.876 1.00 0.00 O ATOM 137 CB TYR A 11 -2.895 1.795 3.650 1.00 0.00 C ATOM 138 CG TYR A 11 -2.715 3.166 3.005 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.749 3.777 2.328 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.496 3.847 3.094 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.582 5.018 1.760 1.00 0.00 C ATOM 142 CE2 TYR A 11 -1.331 5.083 2.534 1.00 0.00 C ATOM 143 CZ TYR A 11 -2.375 5.662 1.866 1.00 0.00 C ATOM 144 OH TYR A 11 -2.223 6.903 1.328 1.00 0.00 O ATOM 0 H TYR A 11 -5.012 3.162 4.720 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.437 0.775 5.446 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.924 1.302 3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.533 1.191 3.005 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.701 3.275 2.243 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.669 3.387 3.615 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.400 5.485 1.231 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.385 5.598 2.618 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.853 7.523 1.752 1.00 0.00 H new ATOM 154 N LYS A 12 -2.062 2.186 6.938 1.00 0.00 N ATOM 155 CA LYS A 12 -1.286 3.028 7.763 1.00 0.00 C ATOM 156 C LYS A 12 0.143 2.858 7.368 1.00 0.00 C ATOM 157 O LYS A 12 0.603 1.741 7.160 1.00 0.00 O ATOM 158 CB LYS A 12 -1.513 2.767 9.271 1.00 0.00 C ATOM 159 CG LYS A 12 -0.314 2.234 10.013 1.00 0.00 C ATOM 160 CD LYS A 12 -0.523 2.221 11.502 1.00 0.00 C ATOM 161 CE LYS A 12 0.744 1.789 12.210 1.00 0.00 C ATOM 162 NZ LYS A 12 1.865 2.749 12.009 1.00 0.00 N ATOM 0 H LYS A 12 -2.023 1.190 7.156 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.593 4.063 7.615 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.828 3.698 9.742 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.334 2.059 9.382 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.098 1.222 9.670 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.558 2.844 9.776 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.817 3.214 11.843 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.338 1.543 11.755 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.544 1.687 13.277 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.042 0.806 11.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.536 2.670 12.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.353 2.531 11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.489 3.718 11.970 1.00 0.00 H new ATOM 176 N PHE A 13 0.826 3.931 7.205 1.00 0.00 N ATOM 177 CA PHE A 13 2.202 3.847 6.870 1.00 0.00 C ATOM 178 C PHE A 13 2.950 3.639 8.171 1.00 0.00 C ATOM 179 O PHE A 13 2.476 4.079 9.229 1.00 0.00 O ATOM 180 CB PHE A 13 2.660 5.139 6.186 1.00 0.00 C ATOM 181 CG PHE A 13 3.673 4.921 5.102 1.00 0.00 C ATOM 182 CD1 PHE A 13 4.944 4.454 5.386 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.332 5.156 3.786 1.00 0.00 C ATOM 184 CE1 PHE A 13 5.853 4.228 4.382 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.234 4.928 2.778 1.00 0.00 C ATOM 186 CZ PHE A 13 5.499 4.465 3.077 1.00 0.00 C ATOM 0 H PHE A 13 0.457 4.877 7.298 1.00 0.00 H new ATOM 0 HA PHE A 13 2.392 3.028 6.176 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.791 5.643 5.763 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.082 5.807 6.937 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.225 4.265 6.411 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.345 5.523 3.547 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.842 3.865 4.618 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.954 5.111 1.751 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.211 4.289 2.284 1.00 0.00 H new ATOM 196 N SER A 14 4.066 2.974 8.126 1.00 0.00 N ATOM 197 CA SER A 14 4.880 2.766 9.297 1.00 0.00 C ATOM 198 C SER A 14 5.420 4.102 9.825 1.00 0.00 C ATOM 199 O SER A 14 5.694 4.258 11.013 1.00 0.00 O ATOM 200 CB SER A 14 5.993 1.792 8.948 1.00 0.00 C ATOM 201 OG SER A 14 6.596 2.159 7.715 1.00 0.00 O ATOM 0 H SER A 14 4.443 2.557 7.275 1.00 0.00 H new ATOM 0 HA SER A 14 4.282 2.336 10.100 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.742 1.785 9.740 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.593 0.780 8.879 1.00 0.00 H new ATOM 0 HG SER A 14 7.313 1.526 7.500 1.00 0.00 H new ATOM 207 N SER A 15 5.512 5.062 8.931 1.00 0.00 N ATOM 208 CA SER A 15 5.942 6.386 9.253 1.00 0.00 C ATOM 209 C SER A 15 4.781 7.209 9.871 1.00 0.00 C ATOM 210 O SER A 15 5.010 8.256 10.469 1.00 0.00 O ATOM 211 CB SER A 15 6.447 7.047 7.972 1.00 0.00 C ATOM 212 OG SER A 15 7.344 6.170 7.288 1.00 0.00 O ATOM 0 H SER A 15 5.284 4.932 7.945 1.00 0.00 H new ATOM 0 HA SER A 15 6.741 6.345 9.993 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.605 7.296 7.326 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.952 7.983 8.211 1.00 0.00 H new ATOM 0 HG SER A 15 6.836 5.587 6.686 1.00 0.00 H new ATOM 218 N LYS A 16 3.536 6.734 9.725 1.00 0.00 N ATOM 219 CA LYS A 16 2.397 7.450 10.257 1.00 0.00 C ATOM 220 C LYS A 16 1.844 6.807 11.528 1.00 0.00 C ATOM 221 O LYS A 16 2.004 5.603 11.774 1.00 0.00 O ATOM 222 CB LYS A 16 1.290 7.565 9.226 1.00 0.00 C ATOM 223 CG LYS A 16 1.687 8.304 7.974 1.00 0.00 C ATOM 224 CD LYS A 16 0.491 8.530 7.085 1.00 0.00 C ATOM 225 CE LYS A 16 0.910 9.215 5.797 1.00 0.00 C ATOM 226 NZ LYS A 16 -0.207 9.844 5.043 1.00 0.00 N ATOM 0 H LYS A 16 3.306 5.864 9.245 1.00 0.00 H new ATOM 0 HA LYS A 16 2.758 8.446 10.513 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.957 6.564 8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.438 8.072 9.679 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.136 9.262 8.238 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.444 7.735 7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.013 7.577 6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.247 9.141 7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.650 9.980 6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.400 8.484 5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.126 10.123 4.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.988 9.164 4.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.541 10.685 5.555 1.00 0.00 H new ATOM 240 N LEU A 17 1.149 7.618 12.287 1.00 0.00 N ATOM 241 CA LEU A 17 0.542 7.234 13.562 1.00 0.00 C ATOM 242 C LEU A 17 -0.926 6.875 13.328 1.00 0.00 C ATOM 243 O LEU A 17 -1.678 6.528 14.251 1.00 0.00 O ATOM 244 CB LEU A 17 0.584 8.466 14.474 1.00 0.00 C ATOM 245 CG LEU A 17 0.142 8.273 15.936 1.00 0.00 C ATOM 246 CD1 LEU A 17 1.050 7.291 16.658 1.00 0.00 C ATOM 247 CD2 LEU A 17 0.111 9.604 16.665 1.00 0.00 C ATOM 0 H LEU A 17 0.979 8.592 12.039 1.00 0.00 H new ATOM 0 HA LEU A 17 1.070 6.387 14.000 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.604 8.850 14.477 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.045 9.237 14.030 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.866 7.858 15.929 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.714 7.174 17.688 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.016 6.325 16.154 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.073 7.668 16.651 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.204 9.447 17.697 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.106 10.049 16.653 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.592 10.274 16.170 1.00 0.00 H new ATOM 259 N ASN A 18 -1.320 6.951 12.108 1.00 0.00 N ATOM 260 CA ASN A 18 -2.700 6.879 11.742 1.00 0.00 C ATOM 261 C ASN A 18 -2.866 6.181 10.419 1.00 0.00 C ATOM 262 O ASN A 18 -1.884 5.979 9.684 1.00 0.00 O ATOM 263 CB ASN A 18 -3.254 8.316 11.683 1.00 0.00 C ATOM 264 CG ASN A 18 -2.519 9.236 10.683 1.00 0.00 C ATOM 265 OD1 ASN A 18 -1.371 9.000 10.287 1.00 0.00 O ATOM 266 ND2 ASN A 18 -3.108 10.329 10.380 1.00 0.00 N ATOM 0 H ASN A 18 -0.686 7.067 11.317 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.254 6.299 12.481 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.310 8.276 11.415 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.194 8.758 12.678 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.631 11.022 9.803 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.055 10.508 10.715 1.00 0.00 H new ATOM 273 N TYR A 19 -4.082 5.785 10.129 1.00 0.00 N ATOM 274 CA TYR A 19 -4.388 5.137 8.884 1.00 0.00 C ATOM 275 C TYR A 19 -4.808 6.153 7.866 1.00 0.00 C ATOM 276 O TYR A 19 -5.541 7.109 8.172 1.00 0.00 O ATOM 277 CB TYR A 19 -5.470 4.059 9.027 1.00 0.00 C ATOM 278 CG TYR A 19 -5.055 2.817 9.811 1.00 0.00 C ATOM 279 CD1 TYR A 19 -4.905 2.852 11.193 1.00 0.00 C ATOM 280 CD2 TYR A 19 -4.808 1.606 9.160 1.00 0.00 C ATOM 281 CE1 TYR A 19 -4.527 1.725 11.902 1.00 0.00 C ATOM 282 CE2 TYR A 19 -4.433 0.475 9.866 1.00 0.00 C ATOM 283 CZ TYR A 19 -4.292 0.542 11.236 1.00 0.00 C ATOM 284 OH TYR A 19 -3.927 -0.588 11.953 1.00 0.00 O ATOM 0 H TYR A 19 -4.883 5.904 10.750 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.479 4.635 8.554 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.339 4.502 9.514 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.786 3.750 8.030 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.087 3.775 11.723 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.911 1.551 8.086 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.416 1.773 12.975 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.252 -0.454 9.346 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.799 -1.339 11.337 1.00 0.00 H new ATOM 294 N ASP A 20 -4.348 5.953 6.689 1.00 0.00 N ATOM 295 CA ASP A 20 -4.615 6.806 5.577 1.00 0.00 C ATOM 296 C ASP A 20 -5.561 6.033 4.674 1.00 0.00 C ATOM 297 O ASP A 20 -5.864 4.871 4.971 1.00 0.00 O ATOM 298 CB ASP A 20 -3.307 7.101 4.874 1.00 0.00 C ATOM 299 CG ASP A 20 -3.347 8.343 4.021 1.00 0.00 C ATOM 300 OD1 ASP A 20 -3.973 8.324 2.945 1.00 0.00 O ATOM 301 OD2 ASP A 20 -2.752 9.351 4.433 1.00 0.00 O ATOM 0 H ASP A 20 -3.750 5.160 6.456 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.062 7.757 5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.519 7.208 5.620 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.040 6.249 4.248 1.00 0.00 H new ATOM 306 N THR A 21 -6.008 6.606 3.594 1.00 0.00 N ATOM 307 CA THR A 21 -7.041 5.959 2.804 1.00 0.00 C ATOM 308 C THR A 21 -6.903 6.163 1.305 1.00 0.00 C ATOM 309 O THR A 21 -6.931 7.293 0.814 1.00 0.00 O ATOM 310 CB THR A 21 -8.416 6.460 3.248 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.271 7.814 3.701 1.00 0.00 O ATOM 312 CG2 THR A 21 -9.011 5.588 4.345 1.00 0.00 C ATOM 0 H THR A 21 -5.686 7.505 3.236 1.00 0.00 H new ATOM 0 HA THR A 21 -6.927 4.890 2.984 1.00 0.00 H new ATOM 0 HB THR A 21 -9.105 6.411 2.405 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.142 8.157 3.990 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.987 5.979 4.631 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.122 4.567 3.979 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.350 5.592 5.212 1.00 0.00 H new ATOM 320 N VAL A 22 -6.778 5.078 0.586 1.00 0.00 N ATOM 321 CA VAL A 22 -6.818 5.139 -0.857 1.00 0.00 C ATOM 322 C VAL A 22 -8.219 4.848 -1.306 1.00 0.00 C ATOM 323 O VAL A 22 -8.832 3.862 -0.869 1.00 0.00 O ATOM 324 CB VAL A 22 -5.835 4.162 -1.606 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.422 4.713 -1.677 1.00 0.00 C ATOM 326 CG2 VAL A 22 -5.826 2.778 -0.966 1.00 0.00 C ATOM 0 H VAL A 22 -6.648 4.143 0.972 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.487 6.144 -1.120 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.211 4.071 -2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.781 4.005 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.428 5.662 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.041 4.868 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.137 2.131 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.506 2.860 0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.829 2.353 -1.004 1.00 0.00 H new ATOM 336 N THR A 23 -8.745 5.725 -2.094 1.00 0.00 N ATOM 337 CA THR A 23 -10.022 5.536 -2.667 1.00 0.00 C ATOM 338 C THR A 23 -9.831 5.027 -4.071 1.00 0.00 C ATOM 339 O THR A 23 -9.179 5.674 -4.899 1.00 0.00 O ATOM 340 CB THR A 23 -10.842 6.843 -2.650 1.00 0.00 C ATOM 341 OG1 THR A 23 -10.017 7.943 -3.072 1.00 0.00 O ATOM 342 CG2 THR A 23 -11.386 7.123 -1.261 1.00 0.00 C ATOM 0 H THR A 23 -8.291 6.600 -2.357 1.00 0.00 H new ATOM 0 HA THR A 23 -10.587 4.809 -2.084 1.00 0.00 H new ATOM 0 HB THR A 23 -11.681 6.728 -3.336 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.425 7.649 -3.795 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.960 8.049 -1.275 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.031 6.301 -0.950 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.558 7.220 -0.559 1.00 0.00 H new ATOM 350 N PHE A 24 -10.312 3.866 -4.319 1.00 0.00 N ATOM 351 CA PHE A 24 -10.173 3.251 -5.598 1.00 0.00 C ATOM 352 C PHE A 24 -11.505 2.729 -6.054 1.00 0.00 C ATOM 353 O PHE A 24 -12.500 2.814 -5.318 1.00 0.00 O ATOM 354 CB PHE A 24 -9.100 2.135 -5.559 1.00 0.00 C ATOM 355 CG PHE A 24 -9.333 1.078 -4.508 1.00 0.00 C ATOM 356 CD1 PHE A 24 -8.836 1.255 -3.240 1.00 0.00 C ATOM 357 CD2 PHE A 24 -10.034 -0.093 -4.788 1.00 0.00 C ATOM 358 CE1 PHE A 24 -9.029 0.315 -2.274 1.00 0.00 C ATOM 359 CE2 PHE A 24 -10.222 -1.042 -3.814 1.00 0.00 C ATOM 360 CZ PHE A 24 -9.720 -0.842 -2.558 1.00 0.00 C ATOM 0 H PHE A 24 -10.820 3.304 -3.636 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.833 3.994 -6.319 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.059 1.654 -6.536 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.125 2.592 -5.387 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.284 2.153 -3.006 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.432 -0.255 -5.779 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.638 0.477 -1.280 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.767 -1.947 -4.040 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.865 -1.589 -1.791 1.00 0.00 H new ATOM 370 N ASP A 25 -11.530 2.227 -7.240 1.00 0.00 N ATOM 371 CA ASP A 25 -12.700 1.682 -7.831 1.00 0.00 C ATOM 372 C ASP A 25 -12.587 0.178 -7.896 1.00 0.00 C ATOM 373 O ASP A 25 -11.476 -0.377 -7.963 1.00 0.00 O ATOM 374 CB ASP A 25 -12.889 2.257 -9.236 1.00 0.00 C ATOM 375 CG ASP A 25 -11.713 1.996 -10.158 1.00 0.00 C ATOM 376 OD1 ASP A 25 -10.668 2.675 -10.022 1.00 0.00 O ATOM 377 OD2 ASP A 25 -11.802 1.126 -11.045 1.00 0.00 O ATOM 0 H ASP A 25 -10.709 2.184 -7.844 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.565 1.946 -7.223 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.789 1.829 -9.677 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.051 3.332 -9.162 1.00 0.00 H new ATOM 382 N GLY A 26 -13.710 -0.467 -7.831 1.00 0.00 N ATOM 383 CA GLY A 26 -13.775 -1.883 -7.916 1.00 0.00 C ATOM 384 C GLY A 26 -14.113 -2.476 -6.588 1.00 0.00 C ATOM 385 O GLY A 26 -15.195 -2.237 -6.052 1.00 0.00 O ATOM 0 H GLY A 26 -14.617 -0.014 -7.716 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.525 -2.174 -8.651 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.819 -2.276 -8.263 1.00 0.00 H new ATOM 389 N LEU A 27 -13.192 -3.208 -6.047 1.00 0.00 N ATOM 390 CA LEU A 27 -13.356 -3.840 -4.763 1.00 0.00 C ATOM 391 C LEU A 27 -11.967 -3.993 -4.172 1.00 0.00 C ATOM 392 O LEU A 27 -11.736 -3.764 -2.972 1.00 0.00 O ATOM 393 CB LEU A 27 -14.019 -5.231 -4.946 1.00 0.00 C ATOM 394 CG LEU A 27 -14.791 -5.837 -3.743 1.00 0.00 C ATOM 395 CD1 LEU A 27 -15.358 -7.190 -4.113 1.00 0.00 C ATOM 396 CD2 LEU A 27 -13.934 -5.954 -2.492 1.00 0.00 C ATOM 0 H LEU A 27 -12.289 -3.390 -6.486 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.994 -3.248 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.711 -5.163 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.239 -5.937 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.604 -5.149 -3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.897 -7.604 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.041 -7.080 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.545 -7.862 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.526 -6.384 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.078 -6.597 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.583 -4.965 -2.198 1.00 0.00 H new ATOM 408 N HIS A 28 -11.043 -4.366 -5.019 1.00 0.00 N ATOM 409 CA HIS A 28 -9.674 -4.557 -4.630 1.00 0.00 C ATOM 410 C HIS A 28 -8.709 -3.920 -5.569 1.00 0.00 C ATOM 411 O HIS A 28 -8.985 -3.741 -6.758 1.00 0.00 O ATOM 412 CB HIS A 28 -9.313 -6.026 -4.373 1.00 0.00 C ATOM 413 CG HIS A 28 -9.932 -7.035 -5.278 1.00 0.00 C ATOM 414 ND1 HIS A 28 -10.537 -8.169 -4.803 1.00 0.00 N ATOM 415 CD2 HIS A 28 -10.017 -7.093 -6.626 1.00 0.00 C ATOM 416 CE1 HIS A 28 -10.972 -8.868 -5.842 1.00 0.00 C ATOM 417 NE2 HIS A 28 -10.679 -8.259 -6.981 1.00 0.00 N ATOM 0 H HIS A 28 -11.223 -4.547 -6.007 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.583 -4.040 -3.675 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.230 -6.127 -4.441 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.593 -6.271 -3.348 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.633 -6.354 -7.313 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.496 -9.810 -5.769 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.895 -8.581 -7.924 1.00 0.00 H new ATOM 425 N ILE A 29 -7.592 -3.577 -5.033 1.00 0.00 N ATOM 426 CA ILE A 29 -6.581 -2.931 -5.769 1.00 0.00 C ATOM 427 C ILE A 29 -5.322 -3.774 -5.817 1.00 0.00 C ATOM 428 O ILE A 29 -4.858 -4.272 -4.792 1.00 0.00 O ATOM 429 CB ILE A 29 -6.306 -1.494 -5.217 1.00 0.00 C ATOM 430 CG1 ILE A 29 -5.154 -0.837 -5.956 1.00 0.00 C ATOM 431 CG2 ILE A 29 -6.035 -1.509 -3.710 1.00 0.00 C ATOM 432 CD1 ILE A 29 -5.013 0.639 -5.673 1.00 0.00 C ATOM 0 H ILE A 29 -7.357 -3.743 -4.054 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.931 -2.814 -6.795 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.207 -0.906 -5.388 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.226 -1.340 -5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.293 -0.981 -7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.848 -0.492 -3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.901 -1.917 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.162 -2.129 -3.503 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.169 1.038 -6.236 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.925 1.155 -5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.842 0.790 -4.607 1.00 0.00 H new ATOM 444 N SER A 30 -4.833 -4.000 -7.010 1.00 0.00 N ATOM 445 CA SER A 30 -3.593 -4.700 -7.214 1.00 0.00 C ATOM 446 C SER A 30 -2.448 -3.894 -6.587 1.00 0.00 C ATOM 447 O SER A 30 -2.430 -2.660 -6.675 1.00 0.00 O ATOM 448 CB SER A 30 -3.370 -4.895 -8.710 1.00 0.00 C ATOM 449 OG SER A 30 -4.495 -5.556 -9.289 1.00 0.00 O ATOM 0 H SER A 30 -5.288 -3.701 -7.872 1.00 0.00 H new ATOM 0 HA SER A 30 -3.627 -5.680 -6.737 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.217 -3.929 -9.192 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.467 -5.482 -8.878 1.00 0.00 H new ATOM 0 HG SER A 30 -4.345 -5.676 -10.250 1.00 0.00 H new ATOM 455 N LEU A 31 -1.524 -4.593 -5.965 1.00 0.00 N ATOM 456 CA LEU A 31 -0.420 -4.022 -5.225 1.00 0.00 C ATOM 457 C LEU A 31 0.390 -3.057 -6.049 1.00 0.00 C ATOM 458 O LEU A 31 0.832 -2.040 -5.535 1.00 0.00 O ATOM 459 CB LEU A 31 0.488 -5.118 -4.661 1.00 0.00 C ATOM 460 CG LEU A 31 1.651 -4.628 -3.816 1.00 0.00 C ATOM 461 CD1 LEU A 31 1.148 -3.906 -2.598 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.558 -5.760 -3.418 1.00 0.00 C ATOM 0 H LEU A 31 -1.521 -5.613 -5.961 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.859 -3.461 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.118 -5.794 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.885 -5.701 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 31 2.232 -3.933 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.994 -3.562 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.548 -3.050 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.537 -4.582 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.379 -5.373 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.995 -6.491 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.959 -6.237 -4.312 1.00 0.00 H new ATOM 474 N CYS A 32 0.600 -3.379 -7.310 1.00 0.00 N ATOM 475 CA CYS A 32 1.305 -2.497 -8.203 1.00 0.00 C ATOM 476 C CYS A 32 0.639 -1.122 -8.197 1.00 0.00 C ATOM 477 O CYS A 32 1.288 -0.126 -7.959 1.00 0.00 O ATOM 478 CB CYS A 32 1.264 -3.052 -9.629 1.00 0.00 C ATOM 479 SG CYS A 32 2.404 -2.248 -10.773 1.00 0.00 S ATOM 0 H CYS A 32 0.288 -4.252 -7.736 1.00 0.00 H new ATOM 0 HA CYS A 32 2.339 -2.415 -7.869 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.491 -4.118 -9.598 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.250 -2.953 -10.016 1.00 0.00 H new ATOM 0 HG CYS A 32 2.293 -2.791 -11.949 1.00 0.00 H new ATOM 485 N ASP A 33 -0.673 -1.100 -8.310 1.00 0.00 N ATOM 486 CA ASP A 33 -1.383 0.159 -8.386 1.00 0.00 C ATOM 487 C ASP A 33 -1.431 0.800 -7.027 1.00 0.00 C ATOM 488 O ASP A 33 -1.276 2.005 -6.893 1.00 0.00 O ATOM 489 CB ASP A 33 -2.784 -0.013 -8.949 1.00 0.00 C ATOM 490 CG ASP A 33 -3.276 1.276 -9.563 1.00 0.00 C ATOM 491 OD1 ASP A 33 -2.780 1.630 -10.660 1.00 0.00 O ATOM 492 OD2 ASP A 33 -4.150 1.950 -8.992 1.00 0.00 O ATOM 0 H ASP A 33 -1.264 -1.930 -8.351 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.841 0.810 -9.072 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.785 -0.803 -9.700 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.464 -0.326 -8.157 1.00 0.00 H new ATOM 497 N LEU A 34 -1.578 -0.041 -6.015 1.00 0.00 N ATOM 498 CA LEU A 34 -1.628 0.384 -4.620 1.00 0.00 C ATOM 499 C LEU A 34 -0.341 1.123 -4.260 1.00 0.00 C ATOM 500 O LEU A 34 -0.379 2.233 -3.733 1.00 0.00 O ATOM 501 CB LEU A 34 -1.854 -0.891 -3.730 1.00 0.00 C ATOM 502 CG LEU A 34 -1.921 -0.786 -2.172 1.00 0.00 C ATOM 503 CD1 LEU A 34 -0.571 -0.495 -1.544 1.00 0.00 C ATOM 504 CD2 LEU A 34 -2.952 0.227 -1.714 1.00 0.00 C ATOM 0 H LEU A 34 -1.667 -1.050 -6.138 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.450 1.078 -4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.787 -1.348 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.054 -1.592 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.235 -1.770 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.679 -0.433 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.126 -1.294 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.189 0.452 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.964 0.267 -0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.697 1.210 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.937 -0.066 -2.077 1.00 0.00 H new ATOM 516 N LYS A 35 0.781 0.547 -4.625 1.00 0.00 N ATOM 517 CA LYS A 35 2.057 1.134 -4.315 1.00 0.00 C ATOM 518 C LYS A 35 2.293 2.355 -5.149 1.00 0.00 C ATOM 519 O LYS A 35 2.687 3.387 -4.633 1.00 0.00 O ATOM 520 CB LYS A 35 3.194 0.149 -4.508 1.00 0.00 C ATOM 521 CG LYS A 35 3.099 -1.074 -3.629 1.00 0.00 C ATOM 522 CD LYS A 35 4.300 -1.993 -3.791 1.00 0.00 C ATOM 523 CE LYS A 35 4.504 -2.504 -5.187 1.00 0.00 C ATOM 524 NZ LYS A 35 5.680 -3.397 -5.260 1.00 0.00 N ATOM 0 H LYS A 35 0.832 -0.332 -5.140 1.00 0.00 H new ATOM 0 HA LYS A 35 2.033 1.417 -3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.216 -0.166 -5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.138 0.655 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.018 -0.765 -2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.189 -1.623 -3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.197 -1.458 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.185 -2.843 -3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.614 -3.042 -5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.638 -1.664 -5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.890 -3.614 -6.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.501 -2.926 -4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.478 -4.280 -4.748 1.00 0.00 H new ATOM 538 N LYS A 36 2.001 2.252 -6.429 1.00 0.00 N ATOM 539 CA LYS A 36 2.215 3.349 -7.352 1.00 0.00 C ATOM 540 C LYS A 36 1.385 4.587 -6.978 1.00 0.00 C ATOM 541 O LYS A 36 1.860 5.725 -7.146 1.00 0.00 O ATOM 542 CB LYS A 36 1.951 2.924 -8.799 1.00 0.00 C ATOM 543 CG LYS A 36 3.138 2.278 -9.579 1.00 0.00 C ATOM 544 CD LYS A 36 3.771 1.062 -8.891 1.00 0.00 C ATOM 545 CE LYS A 36 4.717 0.312 -9.831 1.00 0.00 C ATOM 546 NZ LYS A 36 5.380 -0.849 -9.176 1.00 0.00 N ATOM 0 H LYS A 36 1.611 1.412 -6.857 1.00 0.00 H new ATOM 0 HA LYS A 36 3.266 3.628 -7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.122 2.216 -8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.620 3.802 -9.354 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.786 1.977 -10.566 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.908 3.034 -9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.319 1.388 -8.007 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.986 0.387 -8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.158 -0.037 -10.699 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.479 1.000 -10.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.083 -1.258 -9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.853 -0.533 -8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.667 -1.568 -8.940 1.00 0.00 H new ATOM 560 N GLN A 37 0.167 4.385 -6.453 1.00 0.00 N ATOM 561 CA GLN A 37 -0.635 5.508 -5.998 1.00 0.00 C ATOM 562 C GLN A 37 0.013 6.147 -4.787 1.00 0.00 C ATOM 563 O GLN A 37 0.244 7.356 -4.768 1.00 0.00 O ATOM 564 CB GLN A 37 -2.085 5.117 -5.651 1.00 0.00 C ATOM 565 CG GLN A 37 -2.945 4.688 -6.828 1.00 0.00 C ATOM 566 CD GLN A 37 -4.411 4.509 -6.446 1.00 0.00 C ATOM 567 OE1 GLN A 37 -4.932 5.184 -5.546 1.00 0.00 O ATOM 568 NE2 GLN A 37 -5.090 3.621 -7.113 1.00 0.00 N ATOM 0 H GLN A 37 -0.269 3.470 -6.338 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.680 6.213 -6.828 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.060 4.304 -4.926 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.565 5.965 -5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.868 5.432 -7.621 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.561 3.751 -7.232 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.637 3.079 -7.849 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.076 3.467 -6.900 1.00 0.00 H new ATOM 577 N ILE A 38 0.363 5.315 -3.814 1.00 0.00 N ATOM 578 CA ILE A 38 0.927 5.775 -2.538 1.00 0.00 C ATOM 579 C ILE A 38 2.293 6.444 -2.723 1.00 0.00 C ATOM 580 O ILE A 38 2.558 7.496 -2.139 1.00 0.00 O ATOM 581 CB ILE A 38 1.029 4.620 -1.495 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.366 4.059 -1.190 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.706 5.096 -0.202 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.362 2.875 -0.249 1.00 0.00 C ATOM 0 H ILE A 38 0.266 4.302 -3.881 1.00 0.00 H new ATOM 0 HA ILE A 38 0.234 6.522 -2.150 1.00 0.00 H new ATOM 0 HB ILE A 38 1.645 3.830 -1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.978 4.851 -0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.840 3.764 -2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.762 4.268 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.712 5.450 -0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.125 5.908 0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.385 2.538 -0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.221 2.065 -0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.081 3.168 0.703 1.00 0.00 H new ATOM 596 N MET A 39 3.137 5.862 -3.559 1.00 0.00 N ATOM 597 CA MET A 39 4.475 6.409 -3.795 1.00 0.00 C ATOM 598 C MET A 39 4.402 7.828 -4.345 1.00 0.00 C ATOM 599 O MET A 39 5.113 8.719 -3.881 1.00 0.00 O ATOM 600 CB MET A 39 5.301 5.544 -4.739 1.00 0.00 C ATOM 601 CG MET A 39 5.611 4.134 -4.259 1.00 0.00 C ATOM 602 SD MET A 39 6.717 3.300 -5.407 1.00 0.00 S ATOM 603 CE MET A 39 7.037 1.788 -4.531 1.00 0.00 C ATOM 0 H MET A 39 2.927 5.015 -4.086 1.00 0.00 H new ATOM 0 HA MET A 39 4.972 6.421 -2.825 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.773 5.474 -5.690 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.244 6.054 -4.935 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.068 4.173 -3.270 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.686 3.566 -4.160 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.607 1.112 -5.168 1.00 0.00 H new ATOM 0 HE2 MET A 39 7.609 2.004 -3.628 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.092 1.319 -4.258 1.00 0.00 H new ATOM 613 N GLY A 40 3.524 8.034 -5.305 1.00 0.00 N ATOM 614 CA GLY A 40 3.347 9.352 -5.897 1.00 0.00 C ATOM 615 C GLY A 40 2.630 10.303 -4.963 1.00 0.00 C ATOM 616 O GLY A 40 2.835 11.511 -4.993 1.00 0.00 O ATOM 0 H GLY A 40 2.921 7.309 -5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.321 9.766 -6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.781 9.260 -6.824 1.00 0.00 H new ATOM 620 N ARG A 41 1.776 9.744 -4.160 1.00 0.00 N ATOM 621 CA ARG A 41 0.974 10.474 -3.207 1.00 0.00 C ATOM 622 C ARG A 41 1.823 11.042 -2.076 1.00 0.00 C ATOM 623 O ARG A 41 1.798 12.239 -1.812 1.00 0.00 O ATOM 624 CB ARG A 41 -0.056 9.514 -2.653 1.00 0.00 C ATOM 625 CG ARG A 41 -0.988 10.050 -1.609 1.00 0.00 C ATOM 626 CD ARG A 41 -1.937 8.954 -1.219 1.00 0.00 C ATOM 627 NE ARG A 41 -2.870 9.346 -0.184 1.00 0.00 N ATOM 628 CZ ARG A 41 -4.193 9.351 -0.328 1.00 0.00 C ATOM 629 NH1 ARG A 41 -4.748 9.269 -1.549 1.00 0.00 N ATOM 630 NH2 ARG A 41 -4.958 9.444 0.735 1.00 0.00 N ATOM 0 H ARG A 41 1.608 8.738 -4.144 1.00 0.00 H new ATOM 0 HA ARG A 41 0.498 11.321 -3.701 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.655 9.142 -3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.470 8.658 -2.231 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.427 10.394 -0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.537 10.909 -1.995 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.495 8.635 -2.100 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.365 8.092 -0.875 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.488 9.638 0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.154 9.202 -2.376 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.763 9.274 -1.649 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.537 9.512 1.662 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.973 9.449 0.634 1.00 0.00 H new ATOM 644 N GLU A 42 2.618 10.197 -1.472 1.00 0.00 N ATOM 645 CA GLU A 42 3.355 10.576 -0.279 1.00 0.00 C ATOM 646 C GLU A 42 4.735 11.091 -0.593 1.00 0.00 C ATOM 647 O GLU A 42 5.397 11.677 0.265 1.00 0.00 O ATOM 648 CB GLU A 42 3.505 9.397 0.618 1.00 0.00 C ATOM 649 CG GLU A 42 2.205 8.775 1.107 1.00 0.00 C ATOM 650 CD GLU A 42 1.374 9.727 1.921 1.00 0.00 C ATOM 651 OE1 GLU A 42 1.757 10.018 3.071 1.00 0.00 O ATOM 652 OE2 GLU A 42 0.346 10.205 1.444 1.00 0.00 O ATOM 0 H GLU A 42 2.776 9.238 -1.782 1.00 0.00 H new ATOM 0 HA GLU A 42 2.784 11.372 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.077 8.633 0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.093 9.695 1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.625 8.436 0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.432 7.894 1.707 1.00 0.00 H new ATOM 659 N LYS A 43 5.151 10.847 -1.808 1.00 0.00 N ATOM 660 CA LYS A 43 6.460 11.197 -2.344 1.00 0.00 C ATOM 661 C LYS A 43 7.519 10.235 -1.870 1.00 0.00 C ATOM 662 O LYS A 43 8.320 10.535 -0.968 1.00 0.00 O ATOM 663 CB LYS A 43 6.911 12.664 -2.116 1.00 0.00 C ATOM 664 CG LYS A 43 5.892 13.727 -2.443 1.00 0.00 C ATOM 665 CD LYS A 43 5.073 13.347 -3.633 1.00 0.00 C ATOM 666 CE LYS A 43 4.256 14.506 -4.119 1.00 0.00 C ATOM 667 NZ LYS A 43 5.109 15.597 -4.651 1.00 0.00 N ATOM 0 H LYS A 43 4.562 10.374 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 43 6.336 11.110 -3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.201 12.776 -1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.803 12.847 -2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.239 13.884 -1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.399 14.673 -2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.727 12.999 -4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.415 12.517 -3.375 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.572 14.167 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.645 14.888 -3.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.551 16.191 -5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.461 16.178 -3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.915 15.188 -5.166 1.00 0.00 H new ATOM 681 N LEU A 44 7.464 9.057 -2.405 1.00 0.00 N ATOM 682 CA LEU A 44 8.453 8.048 -2.122 1.00 0.00 C ATOM 683 C LEU A 44 9.440 7.964 -3.248 1.00 0.00 C ATOM 684 O LEU A 44 9.119 8.283 -4.395 1.00 0.00 O ATOM 685 CB LEU A 44 7.837 6.662 -1.910 1.00 0.00 C ATOM 686 CG LEU A 44 7.233 6.340 -0.541 1.00 0.00 C ATOM 687 CD1 LEU A 44 6.062 7.232 -0.196 1.00 0.00 C ATOM 688 CD2 LEU A 44 6.820 4.895 -0.507 1.00 0.00 C ATOM 0 H LEU A 44 6.734 8.760 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 44 8.946 8.346 -1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.056 6.527 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.608 5.920 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 44 7.999 6.528 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.673 6.959 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.389 8.272 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.278 7.109 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.389 4.662 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.079 4.710 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.692 4.263 -0.678 1.00 0.00 H new ATOM 700 N LYS A 45 10.621 7.525 -2.933 1.00 0.00 N ATOM 701 CA LYS A 45 11.628 7.332 -3.928 1.00 0.00 C ATOM 702 C LYS A 45 11.573 5.890 -4.414 1.00 0.00 C ATOM 703 O LYS A 45 12.037 4.969 -3.750 1.00 0.00 O ATOM 704 CB LYS A 45 13.058 7.726 -3.443 1.00 0.00 C ATOM 705 CG LYS A 45 13.581 7.013 -2.181 1.00 0.00 C ATOM 706 CD LYS A 45 13.044 7.592 -0.877 1.00 0.00 C ATOM 707 CE LYS A 45 13.636 8.969 -0.577 1.00 0.00 C ATOM 708 NZ LYS A 45 15.103 8.914 -0.401 1.00 0.00 N ATOM 0 H LYS A 45 10.911 7.292 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 45 11.416 8.007 -4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.758 7.535 -4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.071 8.800 -3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.315 5.957 -2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.670 7.067 -2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.958 7.668 -0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.273 6.912 -0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.394 9.653 -1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.177 9.372 0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.428 9.780 0.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.352 8.087 0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.562 8.837 -1.331 1.00 0.00 H new ATOM 722 N ALA A 46 10.991 5.702 -5.555 1.00 0.00 N ATOM 723 CA ALA A 46 10.823 4.387 -6.125 1.00 0.00 C ATOM 724 C ALA A 46 12.114 3.927 -6.792 1.00 0.00 C ATOM 725 O ALA A 46 12.274 2.762 -7.137 1.00 0.00 O ATOM 726 CB ALA A 46 9.668 4.392 -7.104 1.00 0.00 C ATOM 0 H ALA A 46 10.613 6.457 -6.128 1.00 0.00 H new ATOM 0 HA ALA A 46 10.591 3.679 -5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.548 3.396 -7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.753 4.678 -6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.871 5.106 -7.902 1.00 0.00 H new ATOM 732 N ALA A 47 13.032 4.855 -6.966 1.00 0.00 N ATOM 733 CA ALA A 47 14.334 4.561 -7.533 1.00 0.00 C ATOM 734 C ALA A 47 15.242 3.945 -6.476 1.00 0.00 C ATOM 735 O ALA A 47 16.278 3.360 -6.791 1.00 0.00 O ATOM 736 CB ALA A 47 14.959 5.827 -8.097 1.00 0.00 C ATOM 0 H ALA A 47 12.898 5.835 -6.719 1.00 0.00 H new ATOM 0 HA ALA A 47 14.210 3.844 -8.344 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.936 5.593 -8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.315 6.235 -8.876 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.075 6.562 -7.300 1.00 0.00 H new ATOM 742 N ASP A 48 14.850 4.079 -5.224 1.00 0.00 N ATOM 743 CA ASP A 48 15.626 3.527 -4.117 1.00 0.00 C ATOM 744 C ASP A 48 14.826 2.474 -3.378 1.00 0.00 C ATOM 745 O ASP A 48 15.372 1.485 -2.863 1.00 0.00 O ATOM 746 CB ASP A 48 16.002 4.644 -3.144 1.00 0.00 C ATOM 747 CG ASP A 48 16.791 4.172 -1.934 1.00 0.00 C ATOM 748 OD1 ASP A 48 18.041 4.119 -2.001 1.00 0.00 O ATOM 749 OD2 ASP A 48 16.175 3.897 -0.887 1.00 0.00 O ATOM 0 H ASP A 48 13.999 4.565 -4.942 1.00 0.00 H new ATOM 0 HA ASP A 48 16.528 3.068 -4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.587 5.394 -3.676 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.091 5.135 -2.802 1.00 0.00 H new ATOM 754 N CYS A 49 13.534 2.645 -3.354 1.00 0.00 N ATOM 755 CA CYS A 49 12.708 1.804 -2.553 1.00 0.00 C ATOM 756 C CYS A 49 11.530 1.195 -3.311 1.00 0.00 C ATOM 757 O CYS A 49 11.172 1.610 -4.417 1.00 0.00 O ATOM 758 CB CYS A 49 12.178 2.604 -1.362 1.00 0.00 C ATOM 759 SG CYS A 49 13.426 3.267 -0.239 1.00 0.00 S ATOM 0 H CYS A 49 13.035 3.361 -3.882 1.00 0.00 H new ATOM 0 HA CYS A 49 13.334 0.973 -2.228 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.582 3.434 -1.743 1.00 0.00 H new ATOM 0 HB3 CYS A 49 11.505 1.965 -0.790 1.00 0.00 H new ATOM 0 HG CYS A 49 14.563 3.362 -0.861 1.00 0.00 H new ATOM 765 N ASP A 50 10.960 0.204 -2.681 1.00 0.00 N ATOM 766 CA ASP A 50 9.755 -0.466 -3.079 1.00 0.00 C ATOM 767 C ASP A 50 8.838 -0.325 -1.898 1.00 0.00 C ATOM 768 O ASP A 50 9.275 0.102 -0.811 1.00 0.00 O ATOM 769 CB ASP A 50 9.980 -1.967 -3.367 1.00 0.00 C ATOM 770 CG ASP A 50 8.754 -2.652 -4.016 1.00 0.00 C ATOM 771 OD1 ASP A 50 7.837 -1.933 -4.508 1.00 0.00 O ATOM 772 OD2 ASP A 50 8.672 -3.893 -4.037 1.00 0.00 O ATOM 0 H ASP A 50 11.351 -0.180 -1.821 1.00 0.00 H new ATOM 0 HA ASP A 50 9.362 -0.035 -4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.842 -2.079 -4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.222 -2.477 -2.435 1.00 0.00 H new ATOM 777 N LEU A 51 7.635 -0.654 -2.052 1.00 0.00 N ATOM 778 CA LEU A 51 6.725 -0.484 -1.003 1.00 0.00 C ATOM 779 C LEU A 51 6.236 -1.857 -0.567 1.00 0.00 C ATOM 780 O LEU A 51 5.729 -2.620 -1.355 1.00 0.00 O ATOM 781 CB LEU A 51 5.620 0.457 -1.481 1.00 0.00 C ATOM 782 CG LEU A 51 4.761 1.097 -0.434 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.628 1.784 0.593 1.00 0.00 C ATOM 784 CD2 LEU A 51 3.830 2.103 -1.074 1.00 0.00 C ATOM 0 H LEU A 51 7.244 -1.050 -2.907 1.00 0.00 H new ATOM 0 HA LEU A 51 7.172 -0.021 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.083 1.250 -2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.970 -0.101 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 51 4.168 0.326 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.996 2.247 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.283 1.052 1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.231 2.550 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.209 2.564 -0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.416 2.872 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.194 1.599 -1.801 1.00 0.00 H new ATOM 796 N GLN A 52 6.463 -2.187 0.654 1.00 0.00 N ATOM 797 CA GLN A 52 6.116 -3.485 1.158 1.00 0.00 C ATOM 798 C GLN A 52 4.910 -3.374 2.051 1.00 0.00 C ATOM 799 O GLN A 52 4.900 -2.624 3.007 1.00 0.00 O ATOM 800 CB GLN A 52 7.319 -4.090 1.862 1.00 0.00 C ATOM 801 CG GLN A 52 7.124 -5.482 2.434 1.00 0.00 C ATOM 802 CD GLN A 52 6.569 -6.507 1.450 1.00 0.00 C ATOM 803 OE1 GLN A 52 6.874 -6.372 0.182 1.00 0.00 O flip ATOM 804 NE2 GLN A 52 5.878 -7.440 1.853 1.00 0.00 N flip ATOM 0 H GLN A 52 6.895 -1.569 1.341 1.00 0.00 H new ATOM 0 HA GLN A 52 5.848 -4.156 0.342 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.150 -4.121 1.157 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.614 -3.424 2.673 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.082 -5.842 2.810 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.450 -5.417 3.288 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.657 -7.519 2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.526 -8.135 1.195 1.00 0.00 H new ATOM 813 N ILE A 53 3.899 -4.102 1.729 1.00 0.00 N ATOM 814 CA ILE A 53 2.642 -3.960 2.408 1.00 0.00 C ATOM 815 C ILE A 53 2.336 -5.233 3.182 1.00 0.00 C ATOM 816 O ILE A 53 2.575 -6.340 2.696 1.00 0.00 O ATOM 817 CB ILE A 53 1.500 -3.694 1.376 1.00 0.00 C ATOM 818 CG1 ILE A 53 1.913 -2.633 0.338 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.205 -3.269 2.066 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.229 -1.263 0.871 1.00 0.00 C ATOM 0 H ILE A 53 3.910 -4.810 0.995 1.00 0.00 H new ATOM 0 HA ILE A 53 2.705 -3.117 3.096 1.00 0.00 H new ATOM 0 HB ILE A 53 1.321 -4.636 0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.788 -3.001 -0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.109 -2.538 -0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.566 -3.093 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.122 -4.057 2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.377 -2.353 2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.506 -0.607 0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.353 -0.859 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.058 -1.329 1.576 1.00 0.00 H new ATOM 832 N THR A 54 1.897 -5.086 4.390 1.00 0.00 N ATOM 833 CA THR A 54 1.456 -6.211 5.175 1.00 0.00 C ATOM 834 C THR A 54 0.039 -5.947 5.682 1.00 0.00 C ATOM 835 O THR A 54 -0.291 -4.834 6.013 1.00 0.00 O ATOM 836 CB THR A 54 2.400 -6.456 6.359 1.00 0.00 C ATOM 837 OG1 THR A 54 3.748 -6.576 5.870 1.00 0.00 O ATOM 838 CG2 THR A 54 2.016 -7.726 7.111 1.00 0.00 C ATOM 0 H THR A 54 1.831 -4.187 4.867 1.00 0.00 H new ATOM 0 HA THR A 54 1.463 -7.102 4.547 1.00 0.00 H new ATOM 0 HB THR A 54 2.323 -5.614 7.047 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.065 -5.700 5.567 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.701 -7.876 7.945 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.998 -7.631 7.490 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.074 -8.580 6.436 1.00 0.00 H new ATOM 846 N ASN A 55 -0.789 -6.950 5.692 1.00 0.00 N ATOM 847 CA ASN A 55 -2.144 -6.821 6.173 1.00 0.00 C ATOM 848 C ASN A 55 -2.129 -6.692 7.680 1.00 0.00 C ATOM 849 O ASN A 55 -1.388 -7.395 8.349 1.00 0.00 O ATOM 850 CB ASN A 55 -2.940 -8.043 5.794 1.00 0.00 C ATOM 851 CG ASN A 55 -4.403 -7.802 5.837 1.00 0.00 C ATOM 852 OD1 ASN A 55 -5.015 -7.869 6.874 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.980 -7.583 4.729 1.00 0.00 N ATOM 0 H ASN A 55 -0.548 -7.886 5.367 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.600 -5.937 5.727 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.656 -8.361 4.791 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.689 -8.860 6.470 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.992 -7.457 4.697 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.432 -7.532 3.870 1.00 0.00 H new ATOM 860 N ALA A 56 -2.938 -5.815 8.214 1.00 0.00 N ATOM 861 CA ALA A 56 -2.974 -5.611 9.652 1.00 0.00 C ATOM 862 C ALA A 56 -3.943 -6.579 10.308 1.00 0.00 C ATOM 863 O ALA A 56 -3.899 -6.810 11.505 1.00 0.00 O ATOM 864 CB ALA A 56 -3.389 -4.186 9.961 1.00 0.00 C ATOM 0 H ALA A 56 -3.582 -5.228 7.683 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.976 -5.793 10.050 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.414 -4.040 11.041 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.673 -3.494 9.518 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.379 -3.997 9.547 1.00 0.00 H new ATOM 870 N GLN A 57 -4.796 -7.161 9.512 1.00 0.00 N ATOM 871 CA GLN A 57 -5.857 -8.005 10.013 1.00 0.00 C ATOM 872 C GLN A 57 -5.477 -9.484 9.898 1.00 0.00 C ATOM 873 O GLN A 57 -5.689 -10.261 10.826 1.00 0.00 O ATOM 874 CB GLN A 57 -7.134 -7.718 9.218 1.00 0.00 C ATOM 875 CG GLN A 57 -7.437 -6.222 9.103 1.00 0.00 C ATOM 876 CD GLN A 57 -8.649 -5.874 8.248 1.00 0.00 C ATOM 877 OE1 GLN A 57 -8.978 -6.693 7.286 1.00 0.00 O flip ATOM 878 NE2 GLN A 57 -9.288 -4.861 8.466 1.00 0.00 N flip ATOM 0 H GLN A 57 -4.780 -7.067 8.496 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.023 -7.787 11.068 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.038 -8.142 8.219 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.975 -8.219 9.697 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.590 -5.820 10.104 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.563 -5.720 8.688 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.011 -4.237 9.224 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.100 -4.637 7.891 1.00 0.00 H new ATOM 887 N THR A 58 -4.922 -9.867 8.755 1.00 0.00 N ATOM 888 CA THR A 58 -4.558 -11.255 8.512 1.00 0.00 C ATOM 889 C THR A 58 -3.071 -11.453 8.728 1.00 0.00 C ATOM 890 O THR A 58 -2.598 -12.573 8.915 1.00 0.00 O ATOM 891 CB THR A 58 -4.901 -11.655 7.061 1.00 0.00 C ATOM 892 OG1 THR A 58 -4.080 -10.907 6.154 1.00 0.00 O ATOM 893 CG2 THR A 58 -6.337 -11.313 6.760 1.00 0.00 C ATOM 0 H THR A 58 -4.714 -9.235 7.982 1.00 0.00 H new ATOM 0 HA THR A 58 -5.120 -11.878 9.208 1.00 0.00 H new ATOM 0 HB THR A 58 -4.733 -12.726 6.947 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.410 -11.026 5.239 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.572 -11.598 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.991 -11.852 7.445 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.489 -10.241 6.882 1.00 0.00 H new ATOM 901 N LYS A 59 -2.347 -10.329 8.690 1.00 0.00 N ATOM 902 CA LYS A 59 -0.894 -10.263 8.815 1.00 0.00 C ATOM 903 C LYS A 59 -0.182 -10.797 7.568 1.00 0.00 C ATOM 904 O LYS A 59 1.037 -10.974 7.570 1.00 0.00 O ATOM 905 CB LYS A 59 -0.380 -10.916 10.115 1.00 0.00 C ATOM 906 CG LYS A 59 -1.007 -10.336 11.392 1.00 0.00 C ATOM 907 CD LYS A 59 -0.804 -8.819 11.530 1.00 0.00 C ATOM 908 CE LYS A 59 0.674 -8.422 11.633 1.00 0.00 C ATOM 909 NZ LYS A 59 1.327 -8.957 12.852 1.00 0.00 N ATOM 0 H LYS A 59 -2.775 -9.411 8.567 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.639 -9.206 8.889 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.581 -11.987 10.077 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.702 -10.797 10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.075 -10.555 11.397 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.575 -10.834 12.260 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.251 -8.318 10.671 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.333 -8.466 12.415 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.205 -8.784 10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.755 -7.335 11.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.298 -8.590 12.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.790 -8.661 13.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.352 -9.996 12.805 1.00 0.00 H new ATOM 923 N GLU A 60 -0.938 -10.990 6.490 1.00 0.00 N ATOM 924 CA GLU A 60 -0.379 -11.455 5.236 1.00 0.00 C ATOM 925 C GLU A 60 0.437 -10.371 4.570 1.00 0.00 C ATOM 926 O GLU A 60 0.022 -9.216 4.522 1.00 0.00 O ATOM 927 CB GLU A 60 -1.478 -11.926 4.291 1.00 0.00 C ATOM 928 CG GLU A 60 -1.454 -13.415 4.039 1.00 0.00 C ATOM 929 CD GLU A 60 -0.185 -13.853 3.355 1.00 0.00 C ATOM 930 OE1 GLU A 60 0.849 -13.990 4.032 1.00 0.00 O ATOM 931 OE2 GLU A 60 -0.199 -14.071 2.118 1.00 0.00 O ATOM 0 H GLU A 60 -1.945 -10.829 6.466 1.00 0.00 H new ATOM 0 HA GLU A 60 0.276 -12.297 5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.447 -11.651 4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.379 -11.402 3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.556 -13.944 4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.311 -13.692 3.425 1.00 0.00 H new ATOM 938 N GLU A 61 1.590 -10.731 4.081 1.00 0.00 N ATOM 939 CA GLU A 61 2.434 -9.816 3.405 1.00 0.00 C ATOM 940 C GLU A 61 2.177 -9.855 1.930 1.00 0.00 C ATOM 941 O GLU A 61 1.883 -10.905 1.360 1.00 0.00 O ATOM 942 CB GLU A 61 3.879 -10.124 3.683 1.00 0.00 C ATOM 943 CG GLU A 61 4.288 -9.767 5.074 1.00 0.00 C ATOM 944 CD GLU A 61 5.741 -9.994 5.360 1.00 0.00 C ATOM 945 OE1 GLU A 61 6.142 -11.131 5.651 1.00 0.00 O ATOM 946 OE2 GLU A 61 6.519 -9.014 5.334 1.00 0.00 O ATOM 0 H GLU A 61 1.964 -11.678 4.146 1.00 0.00 H new ATOM 0 HA GLU A 61 2.213 -8.814 3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.058 -11.186 3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.505 -9.581 2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.053 -8.718 5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.694 -10.351 5.777 1.00 0.00 H new ATOM 953 N TYR A 62 2.292 -8.736 1.325 1.00 0.00 N ATOM 954 CA TYR A 62 2.081 -8.607 -0.095 1.00 0.00 C ATOM 955 C TYR A 62 3.423 -8.456 -0.761 1.00 0.00 C ATOM 956 O TYR A 62 4.019 -7.377 -0.760 1.00 0.00 O ATOM 957 CB TYR A 62 1.156 -7.421 -0.400 1.00 0.00 C ATOM 958 CG TYR A 62 -0.176 -7.540 0.306 1.00 0.00 C ATOM 959 CD1 TYR A 62 -1.213 -8.245 -0.263 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.378 -6.976 1.558 1.00 0.00 C ATOM 961 CE1 TYR A 62 -2.413 -8.389 0.386 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.577 -7.111 2.215 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.593 -7.821 1.627 1.00 0.00 C ATOM 964 OH TYR A 62 -3.789 -7.977 2.285 1.00 0.00 O ATOM 0 H TYR A 62 2.538 -7.863 1.792 1.00 0.00 H new ATOM 0 HA TYR A 62 1.587 -9.497 -0.486 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.644 -6.494 -0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.991 -7.358 -1.476 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.079 -8.692 -1.237 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.422 -6.421 2.024 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.215 -8.947 -0.076 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.719 -6.662 3.187 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.194 -8.832 2.029 1.00 0.00 H new ATOM 974 N THR A 63 3.926 -9.546 -1.273 1.00 0.00 N ATOM 975 CA THR A 63 5.254 -9.565 -1.805 1.00 0.00 C ATOM 976 C THR A 63 5.323 -9.224 -3.301 1.00 0.00 C ATOM 977 O THR A 63 6.239 -8.518 -3.729 1.00 0.00 O ATOM 978 CB THR A 63 5.947 -10.911 -1.487 1.00 0.00 C ATOM 979 OG1 THR A 63 5.130 -12.005 -1.950 1.00 0.00 O ATOM 980 CG2 THR A 63 6.176 -11.050 0.023 1.00 0.00 C ATOM 0 H THR A 63 3.430 -10.435 -1.331 1.00 0.00 H new ATOM 0 HA THR A 63 5.802 -8.766 -1.306 1.00 0.00 H new ATOM 0 HB THR A 63 6.910 -10.934 -1.997 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.575 -12.854 -1.747 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.664 -12.002 0.231 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.809 -10.234 0.372 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.218 -11.013 0.541 1.00 0.00 H new ATOM 988 N ASP A 64 4.359 -9.674 -4.084 1.00 0.00 N ATOM 989 CA ASP A 64 4.396 -9.423 -5.531 1.00 0.00 C ATOM 990 C ASP A 64 3.475 -8.297 -5.874 1.00 0.00 C ATOM 991 O ASP A 64 2.449 -8.149 -5.250 1.00 0.00 O ATOM 992 CB ASP A 64 3.921 -10.629 -6.301 1.00 0.00 C ATOM 993 CG ASP A 64 4.273 -10.559 -7.764 1.00 0.00 C ATOM 994 OD1 ASP A 64 3.514 -9.946 -8.524 1.00 0.00 O ATOM 995 OD2 ASP A 64 5.277 -11.136 -8.170 1.00 0.00 O ATOM 0 H ASP A 64 3.551 -10.206 -3.760 1.00 0.00 H new ATOM 0 HA ASP A 64 5.427 -9.189 -5.795 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.360 -11.528 -5.868 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.840 -10.720 -6.195 1.00 0.00 H new ATOM 1000 N ASP A 65 3.787 -7.559 -6.921 1.00 0.00 N ATOM 1001 CA ASP A 65 2.948 -6.435 -7.357 1.00 0.00 C ATOM 1002 C ASP A 65 1.554 -6.883 -7.826 1.00 0.00 C ATOM 1003 O ASP A 65 0.641 -6.063 -7.952 1.00 0.00 O ATOM 1004 CB ASP A 65 3.620 -5.554 -8.445 1.00 0.00 C ATOM 1005 CG ASP A 65 4.732 -4.609 -7.974 1.00 0.00 C ATOM 1006 OD1 ASP A 65 5.799 -5.071 -7.474 1.00 0.00 O ATOM 1007 OD2 ASP A 65 4.558 -3.364 -8.078 1.00 0.00 O ATOM 0 H ASP A 65 4.617 -7.710 -7.495 1.00 0.00 H new ATOM 0 HA ASP A 65 2.826 -5.820 -6.466 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.034 -6.213 -9.209 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.845 -4.956 -8.925 1.00 0.00 H new ATOM 1012 N ASN A 66 1.394 -8.163 -8.074 1.00 0.00 N ATOM 1013 CA ASN A 66 0.110 -8.708 -8.515 1.00 0.00 C ATOM 1014 C ASN A 66 -0.798 -8.963 -7.312 1.00 0.00 C ATOM 1015 O ASN A 66 -1.998 -9.225 -7.476 1.00 0.00 O ATOM 1016 CB ASN A 66 0.353 -10.030 -9.246 1.00 0.00 C ATOM 1017 CG ASN A 66 0.251 -11.246 -8.355 1.00 0.00 C ATOM 1018 OD1 ASN A 66 1.290 -11.504 -7.672 1.00 0.00 O flip ATOM 1019 ND2 ASN A 66 -0.787 -11.905 -8.264 1.00 0.00 N flip ATOM 0 H ASN A 66 2.135 -8.857 -7.980 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.372 -7.991 -9.180 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.369 -10.124 -10.057 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.343 -10.006 -9.701 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.598 -11.661 -8.833 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.835 -12.694 -7.620 1.00 0.00 H new ATOM 1026 N ALA A 67 -0.220 -8.882 -6.108 1.00 0.00 N ATOM 1027 CA ALA A 67 -0.951 -9.135 -4.884 1.00 0.00 C ATOM 1028 C ALA A 67 -2.067 -8.118 -4.750 1.00 0.00 C ATOM 1029 O ALA A 67 -1.890 -6.998 -5.112 1.00 0.00 O ATOM 1030 CB ALA A 67 -0.013 -9.126 -3.688 1.00 0.00 C ATOM 0 H ALA A 67 0.761 -8.640 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.401 -10.127 -4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.582 -9.318 -2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.744 -9.901 -3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.473 -8.153 -3.614 1.00 0.00 H new ATOM 1036 N LEU A 68 -3.206 -8.501 -4.285 1.00 0.00 N ATOM 1037 CA LEU A 68 -4.329 -7.590 -4.317 1.00 0.00 C ATOM 1038 C LEU A 68 -4.827 -7.247 -2.925 1.00 0.00 C ATOM 1039 O LEU A 68 -4.896 -8.126 -2.038 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.439 -8.180 -5.193 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.198 -9.365 -4.606 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -7.445 -8.885 -3.922 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.502 -10.415 -5.651 1.00 0.00 C ATOM 0 H LEU A 68 -3.397 -9.419 -3.882 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.999 -6.648 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.156 -7.390 -5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.000 -8.490 -6.141 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.560 -9.846 -3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.982 -9.737 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.178 -8.197 -3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.081 -8.373 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.043 -11.241 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.113 -9.977 -6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.569 -10.785 -6.077 1.00 0.00 H new ATOM 1055 N ILE A 69 -5.134 -5.986 -2.710 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.669 -5.558 -1.440 1.00 0.00 C ATOM 1057 C ILE A 69 -7.106 -5.042 -1.626 1.00 0.00 C ATOM 1058 O ILE A 69 -7.333 -4.053 -2.310 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.818 -4.443 -0.723 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.359 -4.867 -0.457 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.473 -4.022 0.583 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.442 -4.825 -1.662 1.00 0.00 C ATOM 0 H ILE A 69 -5.022 -5.242 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.642 -6.438 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.788 -3.599 -1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.945 -4.220 0.316 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.360 -5.881 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.869 -3.251 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.469 -3.628 0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.552 -4.884 1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.441 -5.141 -1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.823 -5.495 -2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.402 -3.808 -2.053 1.00 0.00 H new ATOM 1074 N PRO A 70 -8.086 -5.748 -1.084 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.480 -5.314 -1.107 1.00 0.00 C ATOM 1076 C PRO A 70 -9.783 -4.238 -0.069 1.00 0.00 C ATOM 1077 O PRO A 70 -9.103 -4.136 0.949 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.249 -6.587 -0.784 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.290 -7.440 -0.023 1.00 0.00 C ATOM 1080 CD PRO A 70 -7.911 -7.042 -0.436 1.00 0.00 C ATOM 0 HA PRO A 70 -9.744 -4.863 -2.064 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.139 -6.370 -0.193 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.584 -7.086 -1.693 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.423 -7.303 1.050 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.464 -8.495 -0.234 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.244 -6.969 0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.474 -7.772 -1.118 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.839 -3.458 -0.321 1.00 0.00 N ATOM 1089 CA LYS A 71 -11.301 -2.385 0.596 1.00 0.00 C ATOM 1090 C LYS A 71 -11.648 -2.915 1.994 1.00 0.00 C ATOM 1091 O LYS A 71 -11.705 -2.169 2.967 1.00 0.00 O ATOM 1092 CB LYS A 71 -12.499 -1.608 -0.003 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.636 -2.485 -0.524 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.873 -1.667 -0.885 1.00 0.00 C ATOM 1095 CE LYS A 71 -16.008 -2.549 -1.391 1.00 0.00 C ATOM 1096 NZ LYS A 71 -17.224 -1.769 -1.728 1.00 0.00 N ATOM 0 H LYS A 71 -11.405 -3.545 -1.165 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.464 -1.697 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.896 -0.937 0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.137 -0.984 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.296 -3.034 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.899 -3.224 0.233 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.208 -1.110 -0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.614 -0.934 -1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.674 -3.095 -2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.254 -3.291 -0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.967 -2.413 -2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.561 -1.268 -0.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.998 -1.079 -2.472 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.838 -4.209 2.081 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.168 -4.879 3.350 1.00 0.00 C ATOM 1112 C ASN A 72 -10.904 -5.153 4.168 1.00 0.00 C ATOM 1113 O ASN A 72 -10.967 -5.691 5.277 1.00 0.00 O ATOM 1114 CB ASN A 72 -12.894 -6.218 3.108 1.00 0.00 C ATOM 1115 CG ASN A 72 -14.194 -6.082 2.344 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -14.212 -6.152 1.108 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -15.284 -5.916 3.049 1.00 0.00 N ATOM 0 H ASN A 72 -11.772 -4.842 1.284 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.826 -4.206 3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.230 -6.886 2.560 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.097 -6.689 4.070 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.187 -5.840 2.581 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.230 -5.863 4.066 1.00 0.00 H new ATOM 1124 N SER A 73 -9.767 -4.805 3.626 1.00 0.00 N ATOM 1125 CA SER A 73 -8.525 -5.058 4.274 1.00 0.00 C ATOM 1126 C SER A 73 -7.820 -3.768 4.639 1.00 0.00 C ATOM 1127 O SER A 73 -7.550 -2.936 3.778 1.00 0.00 O ATOM 1128 CB SER A 73 -7.649 -5.886 3.353 1.00 0.00 C ATOM 1129 OG SER A 73 -8.319 -7.077 2.988 1.00 0.00 O ATOM 0 H SER A 73 -9.685 -4.339 2.723 1.00 0.00 H new ATOM 0 HA SER A 73 -8.717 -5.602 5.199 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.400 -5.311 2.461 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.709 -6.126 3.850 1.00 0.00 H new ATOM 0 HG SER A 73 -7.695 -7.675 2.527 1.00 0.00 H new ATOM 1135 N SER A 74 -7.604 -3.569 5.906 1.00 0.00 N ATOM 1136 CA SER A 74 -6.791 -2.493 6.367 1.00 0.00 C ATOM 1137 C SER A 74 -5.358 -3.020 6.440 1.00 0.00 C ATOM 1138 O SER A 74 -5.089 -4.049 7.094 1.00 0.00 O ATOM 1139 CB SER A 74 -7.296 -2.039 7.720 1.00 0.00 C ATOM 1140 OG SER A 74 -8.683 -1.711 7.628 1.00 0.00 O ATOM 0 H SER A 74 -7.990 -4.153 6.648 1.00 0.00 H new ATOM 0 HA SER A 74 -6.827 -1.631 5.701 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.146 -2.827 8.458 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.729 -1.172 8.059 1.00 0.00 H new ATOM 0 HG SER A 74 -9.009 -1.419 8.505 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.466 -2.370 5.754 1.00 0.00 N ATOM 1147 CA VAL A 75 -3.115 -2.855 5.607 1.00 0.00 C ATOM 1148 C VAL A 75 -2.085 -1.844 6.137 1.00 0.00 C ATOM 1149 O VAL A 75 -2.389 -0.668 6.316 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.816 -3.260 4.113 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.651 -4.461 3.696 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -3.119 -2.128 3.149 1.00 0.00 C ATOM 0 H VAL A 75 -4.649 -1.487 5.278 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.021 -3.753 6.218 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.754 -3.501 4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.425 -4.719 2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.417 -5.308 4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.710 -4.217 3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.899 -2.449 2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.172 -1.857 3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.503 -1.264 3.398 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.906 -2.321 6.425 1.00 0.00 N ATOM 1163 CA ILE A 76 0.182 -1.507 6.919 1.00 0.00 C ATOM 1164 C ILE A 76 1.191 -1.366 5.799 1.00 0.00 C ATOM 1165 O ILE A 76 1.538 -2.353 5.127 1.00 0.00 O ATOM 1166 CB ILE A 76 0.897 -2.150 8.153 1.00 0.00 C ATOM 1167 CG1 ILE A 76 -0.115 -2.581 9.230 1.00 0.00 C ATOM 1168 CG2 ILE A 76 1.917 -1.176 8.755 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.941 -1.452 9.823 1.00 0.00 C ATOM 0 H ILE A 76 -0.664 -3.307 6.322 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.222 -0.546 7.238 1.00 0.00 H new ATOM 0 HB ILE A 76 1.419 -3.040 7.801 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.792 -3.318 8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.425 -3.078 10.036 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.403 -1.642 9.612 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.667 -0.925 8.005 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.407 -0.268 9.077 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.624 -1.855 10.571 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.279 -0.724 10.291 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.514 -0.967 9.033 1.00 0.00 H new ATOM 1181 N VAL A 77 1.641 -0.174 5.591 1.00 0.00 N ATOM 1182 CA VAL A 77 2.538 0.144 4.525 1.00 0.00 C ATOM 1183 C VAL A 77 3.945 0.390 5.067 1.00 0.00 C ATOM 1184 O VAL A 77 4.166 1.306 5.861 1.00 0.00 O ATOM 1185 CB VAL A 77 2.023 1.383 3.769 1.00 0.00 C ATOM 1186 CG1 VAL A 77 2.903 1.731 2.615 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.606 1.156 3.305 1.00 0.00 C ATOM 0 H VAL A 77 1.391 0.627 6.170 1.00 0.00 H new ATOM 0 HA VAL A 77 2.585 -0.698 3.834 1.00 0.00 H new ATOM 0 HB VAL A 77 2.041 2.227 4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.506 2.610 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.909 1.944 2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.937 0.894 1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.252 2.038 2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.575 0.293 2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.034 0.972 4.168 1.00 0.00 H new ATOM 1197 N ARG A 78 4.865 -0.432 4.644 1.00 0.00 N ATOM 1198 CA ARG A 78 6.241 -0.384 5.076 1.00 0.00 C ATOM 1199 C ARG A 78 7.115 -0.008 3.868 1.00 0.00 C ATOM 1200 O ARG A 78 6.910 -0.517 2.766 1.00 0.00 O ATOM 1201 CB ARG A 78 6.631 -1.791 5.558 1.00 0.00 C ATOM 1202 CG ARG A 78 8.013 -1.912 6.193 1.00 0.00 C ATOM 1203 CD ARG A 78 8.555 -3.341 6.089 1.00 0.00 C ATOM 1204 NE ARG A 78 7.553 -4.368 6.402 1.00 0.00 N ATOM 1205 CZ ARG A 78 7.654 -5.669 6.069 1.00 0.00 C ATOM 1206 NH1 ARG A 78 8.799 -6.158 5.583 1.00 0.00 N ATOM 1207 NH2 ARG A 78 6.614 -6.476 6.235 1.00 0.00 N ATOM 0 H ARG A 78 4.677 -1.175 3.971 1.00 0.00 H new ATOM 0 HA ARG A 78 6.377 0.345 5.875 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.888 -2.126 6.282 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.580 -2.473 4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.702 -1.224 5.702 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.960 -1.617 7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.931 -3.507 5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.402 -3.451 6.767 1.00 0.00 H new ATOM 0 HE ARG A 78 6.718 -4.074 6.909 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.605 -5.545 5.462 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.867 -7.145 5.333 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.740 -6.111 6.614 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.688 -7.462 5.983 1.00 0.00 H new ATOM 1221 N ARG A 79 8.073 0.861 4.052 1.00 0.00 N ATOM 1222 CA ARG A 79 8.959 1.217 2.953 1.00 0.00 C ATOM 1223 C ARG A 79 10.194 0.326 2.981 1.00 0.00 C ATOM 1224 O ARG A 79 10.870 0.247 4.004 1.00 0.00 O ATOM 1225 CB ARG A 79 9.371 2.697 3.024 1.00 0.00 C ATOM 1226 CG ARG A 79 10.310 3.111 1.898 1.00 0.00 C ATOM 1227 CD ARG A 79 10.715 4.576 1.972 1.00 0.00 C ATOM 1228 NE ARG A 79 11.430 4.918 3.215 1.00 0.00 N ATOM 1229 CZ ARG A 79 12.717 5.341 3.283 1.00 0.00 C ATOM 1230 NH1 ARG A 79 13.504 5.295 2.209 1.00 0.00 N ATOM 1231 NH2 ARG A 79 13.220 5.757 4.438 1.00 0.00 N ATOM 0 H ARG A 79 8.266 1.334 4.935 1.00 0.00 H new ATOM 0 HA ARG A 79 8.422 1.065 2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.476 3.319 2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.856 2.887 3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.205 2.490 1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.826 2.921 0.940 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.349 4.815 1.118 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.823 5.198 1.890 1.00 0.00 H new ATOM 0 HE ARG A 79 10.917 4.830 4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.140 4.939 1.325 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.470 5.616 2.271 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.639 5.759 5.276 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.188 6.075 4.488 1.00 0.00 H new ATOM 1245 N ILE A 80 10.485 -0.360 1.890 1.00 0.00 N ATOM 1246 CA ILE A 80 11.660 -1.217 1.842 1.00 0.00 C ATOM 1247 C ILE A 80 12.526 -0.851 0.649 1.00 0.00 C ATOM 1248 O ILE A 80 12.018 -0.373 -0.335 1.00 0.00 O ATOM 1249 CB ILE A 80 11.308 -2.754 1.846 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.510 -3.224 0.624 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.596 -3.158 3.108 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.385 -3.609 -0.551 1.00 0.00 C ATOM 0 H ILE A 80 9.932 -0.343 1.033 1.00 0.00 H new ATOM 0 HA ILE A 80 12.223 -1.040 2.758 1.00 0.00 H new ATOM 0 HB ILE A 80 12.275 -3.255 1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.896 -4.079 0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.829 -2.431 0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.370 -4.224 3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.233 -2.950 3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.668 -2.593 3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.757 -3.932 -1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.980 -2.749 -0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.048 -4.423 -0.259 1.00 0.00 H new ATOM 1264 N PRO A 81 13.832 -1.022 0.731 1.00 0.00 N ATOM 1265 CA PRO A 81 14.734 -0.733 -0.393 1.00 0.00 C ATOM 1266 C PRO A 81 14.614 -1.786 -1.508 1.00 0.00 C ATOM 1267 O PRO A 81 14.482 -2.983 -1.225 1.00 0.00 O ATOM 1268 CB PRO A 81 16.104 -0.813 0.249 1.00 0.00 C ATOM 1269 CG PRO A 81 15.926 -1.764 1.376 1.00 0.00 C ATOM 1270 CD PRO A 81 14.565 -1.498 1.919 1.00 0.00 C ATOM 0 HA PRO A 81 14.516 0.224 -0.868 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.854 -1.169 -0.457 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.436 0.164 0.601 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.017 -2.795 1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.689 -1.612 2.140 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.114 -2.396 2.341 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.584 -0.749 2.711 1.00 0.00 H new